Mrv1652307312018382D          

 19 18  0  0  1  0            999 V2000
   -6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3381    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    2.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6632    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    2.8579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0513    2.4454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  6  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 19  1  1  0  0  0
M  END
> <DATABASE_ID>
CDB000247

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@](C)(CCCCCCCCCC)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C18H38/c1-5-6-7-8-9-10-11-12-15-18(4)16-13-14-17(2)3/h17-18H,5-16H2,1-4H3/t18-/m1/s1

> <INCHI_KEY>
MMHVNKBJGUZQKC-GOSISDBHSA-N

> <FORMULA>
C18H38

> <MOLECULAR_WEIGHT>
254.502

> <EXACT_MASS>
254.297351224

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
36.812226884220074

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R)-2,6-dimethylhexadecane

> <ALOGPS_LOGP>
9.07

> <JCHEM_LOGP>
8.150862735333334

> <ALOGPS_LOGS>
-7.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
84.51539999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.06e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-2,6-dimethylhexadecane

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB000247

> <GENERIC_NAME>
2,6-Dimethyl-hexadecane

$$$$